1,2,2a,2b-Tetrachloro-2a,2b,5a,5b-tetrahydro-5-thia-4-azacyclopropa(cd)inden-3(4H)-one 5,5-dioxide
Basic information
- CAS
10562-20-6- Standard SMILES
O=C1NS(=O)(=O)C2C(Cl)=C(Cl)C3(Cl)C2C13Cl- InChIKey
XUUFIFMBRBNMQE-UHFFFAOYSA-N- Molecular formula
- C7H3Cl4NO3S
- Average molar mass
- 323 g/mol
- Monoisotopic mass
- 320.858775
Names & identifiers
- Preferred name
- 1,2,2a,2b-Tetrachloro-2a,2b,5a,5b-tetrahydro-5-thia-4-azacyclopropa(cd)inden-3(4H)-one 5,5-dioxide
- IUPAC
- 2,7,8,9-tetrachloro-5,5-dioxo-5λ6-thia-4-azatricyclo[4.3.0.02,9]non-7-en-3-one
Names & synonyms
NSC31014710562-20-6NSC 3101471,2,2a,2b-Tetrachloro-2a,2b,5a,5b-tetrahydro-5-thia-4-azacyclopropa(cd)inden-3(4H)-one 5,5-dioxide1,2,2a,2b-Tetrachloro-2a,2b,5a,5b-tetrahydro-5-thia-4-azacyclopropa[cd]inden-3(4H)-one 5,5-dioxidetetrachloro(dioxo)[?]oneDTXSID50909635NSC-3101471,2,2a,2b-Tetrachloro-3-hydroxy-2a,2b,5a,5b-tetrahydro-5H-5lambda~6~-thia-4-azacyclopropa[cd]indene-5,5-dione
Database identifiers
- CAS
10562-20-6- PubChem CID
- 329049
- DTXSID
DTXSID50909635
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…